4-(methoxymethyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 4-(methoxymethyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 4-(methoxymethyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 4-(methoxymethyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 4-(methoxymethyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(methoxymethyl)benzamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COCC1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-27-12-13-3-5-14(6-4-13)18(22)20-10-9-19-16-8-7-15(28(2,25)26)11-17(16)21(23)24/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,22)